Table 1 Properties of the easily p-type dopable, low hole effective mass, transparent oxides identified via the selection procedure in this work.
From: Easily doped p-type, low hole effective mass, transparent oxides
oxide | E g |
|
|
| ΔHf2 |
|---|---|---|---|---|---|
La2SeO2 | 3.49 | 4.02 | 1.55 | 0.92 | −15.62 |
Pr2SeO2 | 3.26 | 4.09 | 1.99 | 0.69 | −15.09 |
Nd2SeO2 | 2.76 | 3.12 | 1.76 | 0.79 | −14.72 |
Gd2SeO2 | 3.07 | 3.95 | 2.28 | 0.76 | −32.67 |
1
- The fundamental band gap, Eg, first direct band gap,
, second gap direct gap in the valence band, 
and standard enthalpy of formation, ΔHf, are our HSE06 calculated values. The average hole effective mass 
is the AFLOWLIB value. (Energies are in eV and effective masses are in units of me). - 1For the compounds that have a non-zero total magnetic moment
is the energy difference between the two highest occupied bands with the same spin component. - 2Enthalpy of formation energy per formula unit with respect to the constituent elements in their standard phases.
, second gap direct gap in the valence band, 
and standard enthalpy of formation, ΔHf, are our HSE06 calculated values. The average hole effective mass 
is the AFLOWLIB value. (Energies are in eV and effective masses are in units of me).
is the energy difference between the two highest occupied bands with the same spin component.